4-(cyclohexylmethylsulfamoyl)benzoic acid

C14H19NO4S — CID 18524305

IUPAC4-(cyclohexylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C14H19NO4S/c16-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17)
InChIKeySECGGHXAKYHWQI-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.24
Rot. Bonds5

About 4-(cyclohexylmethylsulfamoyl)benzoic acid

4-(cyclohexylmethylsulfamoyl)benzoic acid (PubChem CID 18524305) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(cyclohexylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(cyclohexylmethylsulfamoyl)benzoic acid
PubChem CID18524305
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-(cyclohexylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C14H19NO4S/c16-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17)
InChIKeySECGGHXAKYHWQI-UHFFFAOYSA-N
XLogP2.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056
4-[[(1R,2S)-2-carboxycyclohexyl]methylsulfamoyl]benzoic acid
CID 108781394
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 6733441
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 652627

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(cyclohexylmethylsulfamoyl)benzoic acid (CID 18524305) is 4-(cyclohexylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(cyclohexylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(cyclohexylmethylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethylsulfamoyl)benzoic acid?
The InChIKey is SECGGHXAKYHWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17).
What are the key properties of 4-(cyclohexylmethylsulfamoyl)benzoic acid?
4-(cyclohexylmethylsulfamoyl)benzoic acid has a molecular weight of 297.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 18524305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).